2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

C23H30N4O — CID 177056290

IUPAC2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(C(C)C)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C23H30N4O/c1-7-26(8-2)21(28)14-20-22(19-11-9-18(10-12-19)15(3)4)25-27-17(6)13-16(5)24-23(20)27/h9-13,15H,7-8,14H2,1-6H3
InChIKeySYUUSSMSFXSWOP-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.55
Rot. Bonds6

About 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (PubChem CID 177056290) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
PubChem CID177056290
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(C(C)C)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C23H30N4O/c1-7-26(8-2)21(28)14-20-22(19-11-9-18(10-12-19)15(3)4)25-27-17(6)13-16(5)24-23(20)27/h9-13,15H,7-8,14H2,1-6H3
InChIKeySYUUSSMSFXSWOP-UHFFFAOYSA-N
XLogP4.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5,7-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 71181881
2-[4-[3-[2-(diethylamino)-2-oxoethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
CID 122580794
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 171618999
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71717048
2-[2-[4-[3-[4-[5,7-dimethyl-3-(2-oxopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]propoxy]phenyl]-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 58299421
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-7-(hydroxymethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118753079
2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 141189662
N,N-diethyl-2-[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591192
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591429
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71625549
2-[2-[4-[3-[2-[2-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]ethoxy]ethoxy]propoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 176845398

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (CID 177056290) is 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(-c2ccc(C(C)C)cc2)nn2c(C)cc(C)nc12.
What is the InChIKey of 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The InChIKey is SYUUSSMSFXSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-7-26(8-2)21(28)14-20-22(19-11-9-18(10-12-19)15(3)4)25-27-17(6)13-16(5)24-23(20)27/h9-13,15H,7-8,14H2,1-6H3.
What are the key properties of 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide has a molecular weight of 378.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 177056290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).